CID 135406017

3-((3,4-dimethylphenyl)imino)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C16H14N2O/c1-10-7-8-12(9-11(10)2)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-9H,1-2H3,(H,17,18,19)
InChIKey
YTYBJPIUORONGK-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)imino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.5
[M+Na]+ 273.099828 166.1
[M-H]- 249.103334 163.5
[M+NH4]+ 268.144433 175.3
[M+K]+ 289.073768 160.4
[M+H-H2O]+ 233.107870 148.9
[M+HCOO]- 295.108811 179.7
[M+CH3COO]- 309.124461 169.4
[M+Na-2H]- 271.085276 160.5
[M]+ 250.11006142 155.8
[M]- 250.11115858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.